2-[(4-carbamimidoylphenyl)amino]-2-[4,5-diethoxy-2-(2-hydroxyethyloxy)phenyl]ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[4,5-diethoxy-2-(2-hydroxyethyloxy)phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-[4,5-diethoxy-2-(2-hydroxyethoxy)phenyl]acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[4,5-diethoxy-2-(2-hydroxyethoxy)phenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[4,5-diethoxy-2-(2-hydroxyethoxy)phenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[4,5-diethoxy-2-(2-hydroxyethoxy)phenyl]acetic acid Formula: C21H27N3O6 MolecularWeight: 417.45558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)OCCO)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)OCCO)OCC

InChI

InChI=1S/C21H27N3O6/c1-3-28-17-11-15(16(30-10-9-25)12-18(17)29-4-2)19(21(26)27)24-14-7-5-13(6-8-14)20(22)23/h5-8,11-12,19,24-25H,3-4,9-10H2,1-2H3,(H3,22,23)(H,26,27)